data_global _chemical_name_mineral 'Nabiasite' loop_ _publ_author_name 'Brugger J' 'Bonin M' 'Schenk K J' 'Meisser N' 'Berlepsch P' 'Ragu A' _journal_name_full 'European Journal of Mineralogy' _journal_volume 11 _journal_year 1999 _journal_page_first 879 _journal_page_last 890 _publ_section_title ; Description and crystal structure of nabiasite, BaMn9[(V,As)O4]6(OH)2, a new mineral from the Central Pyrenees (France) ; _database_code_amcsd 0006798 _chemical_compound_source 'Central Pyrenees, France' _chemical_formula_sum 'Ba Mn9 (V5.382 As.618) O26 H2' _cell_length_a 12.832 _cell_length_b 12.832 _cell_length_c 12.832 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2112.920 _exptl_crystal_density_diffrn 4.307 _symmetry_space_group_name_H-M 'P a 3' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+z,x,1/2-y' 'z,1/2-x,1/2+y' '1/2-z,1/2+x,y' '-z,-x,-y' '1/2+y,1/2-z,-x' '1/2-y,-z,1/2+x' '-y,1/2+z,1/2-x' 'y,z,x' 'x,1/2-y,1/2+z' '1/2-x,1/2+y,z' '1/2+x,y,1/2-z' '-x,-y,-z' '1/2-z,-x,1/2+y' '-z,1/2+x,1/2-y' '1/2+z,1/2-x,-y' 'z,x,y' '1/2-y,1/2+z,x' '1/2+y,z,1/2-x' 'y,1/2-z,1/2+x' '-y,-z,-x' '-x,1/2+y,1/2-z' '1/2+x,1/2-y,-z' '1/2-x,-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Ba 0.00000 0.00000 0.00000 1.00000 0.01700 Mn1 -0.50000 0.00000 0.00000 1.00000 0.01100 Mn2 -0.32420 0.17580 0.32420 1.00000 0.01200 Mn3 -0.30510 0.00540 0.15900 1.00000 0.01400 V -0.25420 0.07260 -0.09300 0.89700 0.00900 As -0.25420 0.07260 -0.09300 0.10300 0.00900 O1 -0.33080 -0.00300 -0.00740 1.00000 0.01300 O2 -0.15610 0.16780 0.32720 1.00000 0.01400 O3 -0.32990 0.17980 0.49120 1.00000 0.01400 O4 -0.17010 0.14140 -0.02070 1.00000 0.01600 O5 -0.34560 -0.15440 0.15440 1.00000 0.01400 H -0.31380 -0.18620 0.18620 1.00000 0.02800 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Ba 0.01700 0.01700 0.01700 0.00300 0.00300 0.00300 Mn1 0.01140 0.01140 0.01140 0.00000 0.00000 0.00000 Mn2 0.01180 0.01180 0.01180 -0.00040 -0.00040 0.00040 Mn3 0.01640 0.01350 0.01290 -0.00080 -0.00230 -0.00160 V 0.00940 0.00910 0.00970 -0.00040 0.00030 0.00040 As 0.00940 0.00910 0.00970 -0.00040 0.00030 0.00040 O1 0.01400 0.01400 0.01200 0.00100 0.00000 0.00200 O2 0.01200 0.01500 0.01400 -0.00100 0.00000 0.00200 O3 0.01400 0.01500 0.01200 0.00000 0.00000 0.00300 O4 0.01600 0.01700 0.01500 -0.00100 -0.00100 -0.00200 O5 0.01500 0.01500 0.01500 0.00300 -0.00300 0.00300